(1s 2 2s 2 2p 6 3s 1 ) 2 S Mg +
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2030.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3s- electron | |
| 1 | 1s | 11.482050 | .05952131 |
| 2 | 2s | 3.421617 | -.24061779 |
| 3 | 3s | 1.410564 | .82072909 |
| 4 | 4s | 1.178670 | .26276872 |
| 5 | 4s | 8.610323 | -.03440327 |
| 6 | 5s | 15.577210 | -.00339874 |
| 7 | 2s | 15.292333 | .00353702 |
| 8 | 1s | .536859 | -.01146132 |
| ORB.ENERGY,a.u. | -.541760 | ||
| NORM | 1.000000 | < R > | 2.840561 | < R2 > | 9.251291 | < 1/R > | .455333 | < 1/R**2 > | 1.073069 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 5.630239 | .49612576 |
| 2 | 3p | 4.238180 | .45870096 |
| 3 | 4p | 3.320851 | .14861482 |
| 4 | 5p | 2.433256 | .00642597 |
| 5 | 2p | 11.231159 | .01828306 |
| 6 | 5p | 15.129628 | .00249397 |
| 7 | 4p | 6.909667 | -.00044757 |
| 8 | 3p | 56.627618 | .00000387 |
| 9 | 5p | .828557 | .00003031 |
| ORB.ENERGY,a.u. | -2.461100 | ||
| NORM | 1.000000 | < R > | .683621 | < R2 > | .594519 | < 1/R > | 1.953990 | < 1/R**2 > | 5.479924 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.510855 | .29753882 |
| 2 | 2s | 4.690187 | -.76835776 |
| 3 | 3s | 3.743282 | -.35834988 |
| 4 | 4s | 14.489433 | .02424593 |
| 5 | 3s | 21.508933 | .01545554 |
| 6 | 4s | 1.834916 | -.03045518 |
| 7 | 5s | 22.426211 | .00529168 |
| 8 | 5s | 2.057370 | .02400448 |
| 9 | 2s | 33.103616 | .00166141 |
| ORB.ENERGY,a.u. | -3.955800 | ||
| NORM | 1.000000 | < R > | .690580 | < R2 > | .571562 | < 1/R > | 2.107146 | < 1/R**2 > | 18.371517 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 11.589282 | 1.01743123 |
| 2 | 2s | 16.670623 | -.02555917 |
| 3 | 3s | 7.770633 | .02479182 |
| 4 | 4s | 42.120076 | -.00028549 |
| 5 | 4s | 9.101383 | .00231738 |
| 6 | 5s | 9.856042 | -.01175601 |
| 7 | 2s | 103.128039 | .00000486 |
| 8 | 3s | 3.575338 | .00217483 |
| 9 | 2s | 3.079072 | -.00273975 |
| 10 | 5s | 92.500091 | -.00001134 |
| ORB.ENERGY,a.u. | -48.571000 |
| NORM | 1.000000 | < R > | .130595 | < R2 > | .022957 | < 1/R > | 11.597901 | < 1/R**2 > | 271.845643 |
Total Energy= -199.37180915 a.u.
Kinetic Energy= 199.37180820 a.u.
Potential Energy= -398.74361735 a.u.
Virial Ratio = -2.00000000